N E dE d eps ncg rms rms(c)
DAV: 1 0.308336317483E+04 0.30834E+04 -0.23602E+05 5312 0.121E+03
DAV: 2 -0.477654030095E+03 -0.35610E+04 -0.34445E+04 6552 0.302E+02
DAV: 3 -0.806516325738E+03 -0.32886E+03 -0.32313E+03 6304 0.964E+01
DAV: 4 -0.816555842375E+03 -0.10040E+02 -0.99520E+01 6744 0.163E+01
DAV: 5 -0.816804795819E+03 -0.24895E+00 -0.24775E+00 6304 0.247E+00 0.625E+01
DAV: 6 -0.733604776571E+03 0.83200E+02 -0.41305E+02 6024 0.319E+01 0.334E+01
DAV: 7 -0.732935950553E+03 0.66883E+00 -0.52041E+01 7800 0.158E+01 0.191E+01
DAV: 8 -0.729046148459E+03 0.38898E+01 -0.17270E+01 8192 0.953E+00 0.102E+01
DAV: 9 -0.729453332706E+03 -0.40718E+00 -0.84770E+00 7160 0.591E+00 0.112E+01
DAV: 10 -0.728705028156E+03 0.74830E+00 -0.30674E+00 7928 0.434E+00 0.438E+00
DAV: 11 -0.728590235932E+03 0.11479E+00 -0.80852E-01 6680 0.185E+00 0.231E+00
DAV: 12 -0.728545450105E+03 0.44786E-01 -0.14714E-01 6872 0.107E+00 0.114E+00
DAV: 13 -0.728549815229E+03 -0.43651E-02 -0.97726E-02 6544 0.648E-01 0.622E-01
DAV: 14 -0.728551794004E+03 -0.19788E-02 -0.27096E-02 6488 0.290E-01 0.581E-01
DAV: 15 -0.728550370839E+03 0.14232E-02 -0.12306E-02 7800 0.230E-01 0.297E-01
DAV: 16 -0.728549945190E+03 0.42565E-03 -0.38150E-03 6312 0.112E-01 0.200E-01
DAV: 17 -0.728549785927E+03 0.15926E-03 -0.24852E-03 7440 0.868E-02 0.120E-01
DAV: 18 -0.728549786869E+03 -0.94141E-06 -0.94157E-04 6616 0.457E-02 0.646E-02
DAV: 19 -0.728549768449E+03 0.18420E-04 -0.30692E-04 6256 0.265E-02 0.266E-02
DAV: 20 -0.728549766183E+03 0.22662E-05 -0.45098E-05 4256 0.120E-02
1 F= -.72854977E+03 E0= -.72854575E+03 d E =-.728550E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.513621147313E+03 0.21493E+03 -0.26825E+04 5440 0.329E+02 0.101E+02
DAV: 2 -0.824108587422E+03 -0.31049E+03 -0.30397E+03 6448 0.974E+01 0.554E+01
DAV: 3 -0.786051980461E+03 0.38057E+02 -0.24686E+02 6584 0.296E+01 0.318E+01
DAV: 4 -0.776170381516E+03 0.98816E+01 -0.53856E+01 6208 0.171E+01 0.200E+01
DAV: 5 -0.773851907331E+03 0.23185E+01 -0.12992E+01 6288 0.855E+00 0.134E+01
DAV: 6 -0.773831588697E+03 0.20319E-01 -0.15104E+00 6200 0.341E+00 0.123E+01
DAV: 7 -0.773504307869E+03 0.32728E+00 -0.17738E+00 7200 0.403E+00 0.682E+00
DAV: 8 -0.773139799472E+03 0.36451E+00 -0.94894E-01 6496 0.253E+00 0.357E+00
DAV: 9 -0.773089931883E+03 0.49868E-01 -0.27799E-01 6248 0.121E+00 0.391E+00
DAV: 10 -0.772905446047E+03 0.18449E+00 -0.16091E-01 6824 0.121E+00 0.227E+00
DAV: 11 -0.772940741402E+03 -0.35295E-01 -0.47913E-01 6272 0.750E-01 0.448E+00
DAV: 12 -0.772987269390E+03 -0.46528E-01 -0.12542E-01 7584 0.100E+00 0.335E+00
DAV: 13 -0.772915819600E+03 0.71450E-01 -0.28448E-02 6232 0.474E-01 0.245E+00
DAV: 14 -0.772888051205E+03 0.27768E-01 -0.15187E-01 7328 0.431E-01 0.109E+00
DAV: 15 -0.772899728460E+03 -0.11677E-01 -0.10285E-02 5552 0.212E-01 0.386E-01
DAV: 16 -0.772899643988E+03 0.84472E-04 -0.13451E-03 5616 0.693E-02 0.709E-02
DAV: 17 -0.772899769620E+03 -0.12563E-03 -0.20814E-04 6480 0.401E-02 0.326E-02
DAV: 18 -0.772899768826E+03 0.79419E-06 -0.86793E-05 6352 0.293E-02
2 F= -.77289977E+03 E0= -.77287764E+03 d E =-.443500E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.767622155080E+03 0.52776E+01 -0.36654E+03 5312 0.122E+02 0.174E+01
DAV: 2 -0.783558645419E+03 -0.15936E+02 -0.18786E+02 6080 0.239E+01 0.117E+01
DAV: 3 -0.782052615760E+03 0.15060E+01 -0.51366E+00 6456 0.571E+00 0.977E+00
DAV: 4 -0.781653345862E+03 0.39927E+00 -0.13620E+00 7256 0.313E+00 0.678E+00
DAV: 5 -0.781553013520E+03 0.10033E+00 -0.23026E+00 6312 0.422E+00 0.479E+00
DAV: 6 -0.781232522628E+03 0.32049E+00 -0.61714E-01 6392 0.186E+00 0.313E+00
DAV: 7 -0.781168845222E+03 0.63677E-01 -0.36635E-01 6200 0.160E+00 0.276E+00
DAV: 8 -0.781140476826E+03 0.28368E-01 -0.12474E-01 7168 0.984E-01 0.230E+00
DAV: 9 -0.781094334112E+03 0.46143E-01 -0.42389E-02 7272 0.666E-01 0.655E-01
DAV: 10 -0.781100770766E+03 -0.64367E-02 -0.13121E-02 6208 0.296E-01 0.704E-01
DAV: 11 -0.781100580019E+03 0.19075E-03 -0.11698E-02 6216 0.191E-01 0.632E-01
DAV: 12 -0.781098801182E+03 0.17788E-02 -0.69398E-03 6744 0.132E-01 0.461E-01
DAV: 13 -0.781098048137E+03 0.75304E-03 -0.15398E-03 6640 0.108E-01 0.519E-02
DAV: 14 -0.781098414377E+03 -0.36624E-03 -0.38118E-04 6096 0.424E-02 0.984E-02
DAV: 15 -0.781098370572E+03 0.43804E-04 -0.11275E-04 6168 0.211E-02 0.562E-02
DAV: 16 -0.781098376403E+03 -0.58309E-05 -0.60497E-05 4984 0.176E-02
3 F= -.78109838E+03 E0= -.78107993E+03 d E =-.525486E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.705708767653E+03 0.75390E+02 -0.14685E+04 5312 0.249E+02 0.624E+01
DAV: 2 -0.803551417422E+03 -0.97843E+02 -0.96589E+02 6228 0.583E+01 0.311E+01
DAV: 3 -0.789934859458E+03 0.13617E+02 -0.38163E+01 6160 0.150E+01 0.201E+01